1-(2,6-dimethylpiperidin-1-yl)-2,5-dimethylpyrrole-3-carbaldehyde

C14H22N2O — CID 83015341

IUPAC1-(2,6-dimethylpiperidin-1-yl)-2,5-dimethylpyrrole-3-carbaldehyde
SMILESCc1cc(C=O)c(C)n1N1C(C)CCCC1C
InChIInChI=1S/C14H22N2O/c1-10-6-5-7-11(2)15(10)16-12(3)8-14(9-17)13(16)4/h8-11H,5-7H2,1-4H3
InChIKeyKWBPZIPDCLGVKZ-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.82
Rot. Bonds2

About 1-(2,6-dimethylpiperidin-1-yl)-2,5-dimethylpyrrole-3-carbaldehyde

1-(2,6-dimethylpiperidin-1-yl)-2,5-dimethylpyrrole-3-carbaldehyde (PubChem CID 83015341) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-(2,6-dimethylpiperidin-1-yl)-2,5-dimethylpyrrole-3-carbaldehyde.

Molecular Properties

Compound Name1-(2,6-dimethylpiperidin-1-yl)-2,5-dimethylpyrrole-3-carbaldehyde
PubChem CID83015341
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name1-(2,6-dimethylpiperidin-1-yl)-2,5-dimethylpyrrole-3-carbaldehyde
SMILESCc1cc(C=O)c(C)n1N1C(C)CCCC1C
InChIInChI=1S/C14H22N2O/c1-10-6-5-7-11(2)15(10)16-12(3)8-14(9-17)13(16)4/h8-11H,5-7H2,1-4H3
InChIKeyKWBPZIPDCLGVKZ-UHFFFAOYSA-N
XLogP2.82
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

1-(2,3-dimethylcyclopentyl)-2,5-dimethylpyrrole-3-carbaldehyde
CID 64910440
1-(2-methoxycyclopentyl)-2,5-dimethylpyrrole-3-carbaldehyde
CID 62086803
2,5-dimethyl-1-(2-methyloxolan-3-yl)pyrrole-3-carbaldehyde
CID 82729133
2,5-dimethyl-1-(4-methylpiperazin-1-yl)pyrrole-3-carbaldehyde
CID 83015464
2,5-dimethyl-1-[(2-methylcyclopentyl)methyl]pyrrole-3-carbaldehyde
CID 107418791
2,5-dimethyl-1-(thiolan-2-ylmethyl)pyrrole-3-carbaldehyde
CID 80585438
2-methyl-4-(2-methylpyrrolidin-1-yl)benzaldehyde
CID 62135927
1-(2,6-dimethylpiperidin-1-yl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-amine
CID 83016943
2,5-dimethyl-1-pentan-3-ylpyrrole-3-carbaldehyde
CID 23008366
2,5-dimethyl-1-(1-sulfanylethenyl)pyrrole-3-carbaldehyde
CID 167130466
1-(3,5-dichlorophenyl)-2,5-dimethylpyrrole-3-carbaldehyde
CID 1121681
2,6-dimethylpiperidine-1-carbaldehyde
CID 4643970

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylpiperidin-1-yl)-2,5-dimethylpyrrole-3-carbaldehyde?
The IUPAC name of 1-(2,6-dimethylpiperidin-1-yl)-2,5-dimethylpyrrole-3-carbaldehyde (CID 83015341) is 1-(2,6-dimethylpiperidin-1-yl)-2,5-dimethylpyrrole-3-carbaldehyde.
What is the SMILES notation for 1-(2,6-dimethylpiperidin-1-yl)-2,5-dimethylpyrrole-3-carbaldehyde?
The canonical SMILES for 1-(2,6-dimethylpiperidin-1-yl)-2,5-dimethylpyrrole-3-carbaldehyde is Cc1cc(C=O)c(C)n1N1C(C)CCCC1C.
What is the InChIKey of 1-(2,6-dimethylpiperidin-1-yl)-2,5-dimethylpyrrole-3-carbaldehyde?
The InChIKey is KWBPZIPDCLGVKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-10-6-5-7-11(2)15(10)16-12(3)8-14(9-17)13(16)4/h8-11H,5-7H2,1-4H3.
What are the key properties of 1-(2,6-dimethylpiperidin-1-yl)-2,5-dimethylpyrrole-3-carbaldehyde?
1-(2,6-dimethylpiperidin-1-yl)-2,5-dimethylpyrrole-3-carbaldehyde has a molecular weight of 234.34 g/mol, XLogP of 2.82, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylpiperidin-1-yl)-2,5-dimethylpyrrole-3-carbaldehyde is sourced from PubChem (CID 83015341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).